N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide

C20H17N3O2 — CID 122141084

IUPACN-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide
SMILESC=CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-2-13-23(17-8-4-3-5-9-17)20(24)16-7-6-10-18(14-16)25-19-15-21-11-12-22-19/h2-12,14-15H,1,13H2
InChIKeyNNXWNIBAENKOTA-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.10
Rot. Bonds6

About N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide

N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide (PubChem CID 122141084) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide
PubChem CID122141084
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide
SMILESC=CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-2-13-23(17-8-4-3-5-9-17)20(24)16-7-6-10-18(14-16)25-19-15-21-11-12-22-19/h2-12,14-15H,1,13H2
InChIKeyNNXWNIBAENKOTA-UHFFFAOYSA-N
XLogP4.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenyl-3-pyridin-2-yloxybenzamide
CID 90596664
N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 154859919
2-[cyclopropyl-(3-pyrazin-2-yloxybenzoyl)amino]acetic acid
CID 120517586
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
CID 120518751
N-pyridin-3-yl-3-pyridin-2-yloxy-N-(2,2,2-trifluoroethyl)benzamide
CID 90596802
N-methyl-N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119442827
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
CID 43052353
2-(3-iodophenoxy)pyrazine
CID 60644113

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide?
The IUPAC name of N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide (CID 122141084) is N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide.
What is the SMILES notation for N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide?
The canonical SMILES for N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide is C=CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide?
The InChIKey is NNXWNIBAENKOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-13-23(17-8-4-3-5-9-17)20(24)16-7-6-10-18(14-16)25-19-15-21-11-12-22-19/h2-12,14-15H,1,13H2.
What are the key properties of N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide?
N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide has a molecular weight of 331.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide is sourced from PubChem (CID 122141084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).